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5CWI
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BU of 5cwi by Molmil
Crystal structure of de novo designed helical repeat protein DHR18
Descriptor: Designed helical repeat protein, PHOSPHATE ION
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
6VKN
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BU of 6vkn by Molmil
BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cottrell, C.A, Ward, A.B.
Deposit date:2020-01-21
Release date:2020-08-12
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
4JPJ
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BU of 4jpj by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
Authors:Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE07
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
5FK9
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BU of 5fk9 by Molmil
Crystal structure of staphylococcal enterotoxin A F47A mutant in complex with a T cell receptor
Descriptor: ENTEROTOXIN TYPE A, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN
Authors:Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
Deposit date:2015-10-15
Release date:2016-05-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins
Sci.Rep., 6, 2016
6VL5
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BU of 6vl5 by Molmil
BG505 SOSIP reconstructed from a designed tetrahedral nanoparticle, BG505 SOSIP-T33_dn2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ...
Authors:Ward, A.B, Antanasijevic, A.
Deposit date:2020-01-22
Release date:2020-08-12
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
4JPI
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BU of 4jpi by Molmil
Crystal structure of a putative VRC01 germline precursor Fab
Descriptor: GLYCEROL, Putative VRC01 germline Fab heavy chain, Putative VRC01 germline Fab light chain
Authors:Julien, J.-P, Diwanji, D.C, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
4JPK
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BU of 4jpk by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain eOD-GT6 in complex with a putative VRC01 germline precursor Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6, ...
Authors:Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
5FKA
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BU of 5fka by Molmil
Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor
Descriptor: STAPHYLOCOCCAL ENTEROTOXIN E, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN, ...
Authors:Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
Deposit date:2015-10-15
Release date:2016-05-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins.
Sci.Rep., 6, 2016
6VL6
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BU of 6vl6 by Molmil
De novo designed tetrahedral nanoparticle T33_dn2 presenting BG505 SOSIP trimers
Descriptor: T33_dn2A, T33_dn2B
Authors:Ward, A.B, Antanasijevic, A.
Deposit date:2020-01-22
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
3IIP
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BU of 3iip by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 R6 3/7F, POLYETHYLENE GLYCOL (N=34)
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
2AR1
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BU of 2ar1 by Molmil
Structure of Hypothetical protein from Leishmania major
Descriptor: GLYCEROL, hypothetical protein
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-08-18
Release date:2005-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structure of Lmaj006129AAA, a hypothetical protein from Leishmania major.
Acta Crystallogr.,Sect.F, 62, 2006
5VID
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BU of 5vid by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
Descriptor: Bot.0671.2, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-15
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5WOD
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BU of 5wod by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: 38-mer peptide
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VMR
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BU of 5vmr by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
Descriptor: Bot.2110.4, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-28
Release date:2017-09-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VLI
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BU of 5vli by Molmil
Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
Descriptor: 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2017-04-25
Release date:2017-09-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5WOC
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BU of 5woc by Molmil
De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures
Descriptor: (3-methylphenyl)methanol, SER-PRO-GLU-GLU-ARG-ALA-GLN-LEU-CYS-THR-ALA-ALA-GLU-LYS-ALA-ASP-GLU-LEU-GLY
Authors:Wu, H, Wu, Y, DeGrado, W.F.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7LDF
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BU of 7ldf by Molmil
High resolution NMR solution structure of a de novo designed minimal thioredoxin fold protein
Descriptor: Minimal thioredoxin fold protein, ems_thioM_802
Authors:Urbauer, J.L, Strauch, E.M.
Deposit date:2021-01-13
Release date:2022-07-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sampling of structure and sequence space of small protein folds.
Nat Commun, 13, 2022
2Y92
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BU of 2y92 by Molmil
Crystal structure of MAL adaptor protein
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER PROTEIN,
Authors:Valkov, E, Stamp, A, Martin, J.L, Kobe, B.
Deposit date:2011-02-11
Release date:2011-09-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structure of Toll-Like Receptor Adaptor Mal/Tirap Reveals the Molecular Basis for Signal Transduction and Disease Protection.
Proc.Natl.Acad.Sci.USA, 108, 2011
7L8F
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BU of 7l8f by Molmil
BG505 SOSIP.v5.2(7S) in complex with the polyclonal Fab pAbC-2 from animal Rh.33172 (Wk38 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Antanasijevic, A, Sewall, L.M, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7KBQ
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BU of 7kbq by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 3x3 Fold Protein r3x3_bp3, Northeast Structural Genomics Consortium (NESG) Target OR689
Descriptor: DE NOVO DESIGNED OR689
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-10-02
Release date:2021-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
2GJF
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BU of 2gjf by Molmil
NMR structure of the computationally designed procarboxypeptidase-A (1AYE) domain
Descriptor: DESIGNED PROTEIN
Authors:Reichow, S.
Deposit date:2006-03-30
Release date:2007-01-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-resolution structural and thermodynamic analysis of extreme stabilization of human procarboxypeptidase by computational protein design.
J.Mol.Biol., 366, 2007
7L7T
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BU of 7l7t by Molmil
BG505 SOSIP reconstructed from a designed nanoparticle, BG505 SOSIP-T33-31 (Component A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ...
Authors:Antanasijevic, A, Cannac, F, Sewall, L.M, Ward, A.B.
Deposit date:2020-12-30
Release date:2021-08-04
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8C
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BU of 7l8c by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-3 from animal Rh.33104 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Perrett, H.R, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8Y
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BU of 7l8y by Molmil
BG505 SOSIP.v5.2 N241/N289 in complex with the polyclonal Fab pAbC-5 from animal Rh.33311 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2 N241/N289 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Cannac, F, Ward, A.B.
Deposit date:2021-01-01
Release date:2021-08-04
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021

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数据于2025-07-09公开中

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